SCHEMBL6073712

SCHEMBL6073712

CC1(C)CCC(N)C(c2ccccc2)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.39
MAOA P21397 11/20 0.39
KDM1A O60341 10/20 0.39
CHRNA7 P36544 1/20 0.39
CYP2C19 P33261 4/20 0.38
CYP2B6 P20813 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
LMNA P02545 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2A6 P11509 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6073903 0.74 ALDH1A1 (0.43) CHRNA7CYP2C19LMNA
SCHEMBL6073972 0.74 ALDH1A1 (0.43) CHRNA7CYP2C19LMNA
SCHEMBL6073913 0.74 ALDH1A1 (0.43) CHRNA7CYP2C19LMNA
SCHEMBL6073867 0.74 ALDH1A1 (0.43) CHRNA7CYP2C19LMNA
SCHEMBL6073976 0.74 ALDH1A1 (0.43) CHRNA7CYP2C19LMNA
SCHEMBL9420060 0.74 PRCP (0.40) MAOBMAOAKDM1ACHRNA7SLC18A3
SCHEMBL6074302 0.69 MAOB (0.43) MAOBMAOAKDM1ACHRNA7CYP2C19
SCHEMBL4940045 0.68 SLC18A3 (0.47) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL4936439 0.68 SLC18A3 (0.47) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL4936425 0.68 SLC18A3 (0.47) MAOBMAOAKDM1ACYP2C19CYP2B6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US claimed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP claimed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO claimed
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 MAOB 787/4885MAOA 775/4885KDM1A 621/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.